(2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide

C22H45N3O3 — CID 139500994

IUPAC(2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide
SMILESCCC[C@@H](C(=O)NCC(C)(C)OCC(C)[C@@H](CCC)C(=O)NCCN)C(C)C
InChIInChI=1S/C22H45N3O3/c1-8-10-18(16(3)4)20(26)25-15-22(6,7)28-14-17(5)19(11-9-2)21(27)24-13-12-23/h16-19H,8-15,23H2,1-7H3,(H,24,27)(H,25,26)/t17?,18-,19-/m1/s1
InChIKeyMVOMFWVYEADQBU-OMKBGSMGSA-N
MW399.62 g/mol
LogP3.10
Rot. Bonds15

About (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide

(2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide (PubChem CID 139500994) has the molecular formula C22H45N3O3 and a molecular weight of 399.62 g/mol. Its IUPAC name is (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide
PubChem CID139500994
Molecular FormulaC22H45N3O3
Molecular Weight399.62 g/mol
Exact Mass399.35
IUPAC Name(2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide
SMILESCCC[C@@H](C(=O)NCC(C)(C)OCC(C)[C@@H](CCC)C(=O)NCCN)C(C)C
InChIInChI=1S/C22H45N3O3/c1-8-10-18(16(3)4)20(26)25-15-22(6,7)28-14-17(5)19(11-9-2)21(27)24-13-12-23/h16-19H,8-15,23H2,1-7H3,(H,24,27)(H,25,26)/t17?,18-,19-/m1/s1
InChIKeyMVOMFWVYEADQBU-OMKBGSMGSA-N
XLogP3.10
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.62
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide with MolForge

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Related Compounds

3-amino-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114941574
N-(2-aminoethyl)-2-propan-2-ylpentanamide;N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 161388181
(2R)-N-(2-aminoethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxyethyl)-2-propan-2-ylpentanamide;(2R)-N-(2-hydroxy-2-methylpropyl)-2-propan-2-ylpentanamide;methane;(2R)-2-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
CID 161388182
N-(2-aminoethyl)-3,3-dimethyl-2-propan-2-ylbutanamide
CID 166908184
16-methoxycarbonyl-5,9,13,17-tetramethyloctadecane-3,7,11-tricarboxylic acid
CID 175111700
N-(2-aminoethyl)-4-methyl-2-propan-2-ylpentanamide
CID 118593084
4-(2-aminoethyl)-N-(2-ethoxy-2-methylpropyl)heptanamide
CID 114942376
N-(5-amino-2,2-dimethylpentyl)-2-methylpentanamide
CID 106140775
(2R)-N-methyl-2-propan-2-ylpentanamide
CID 126694823
ethane;2-propan-2-ylpentanoic acid
CID 175540570
N-(2-ethoxy-2-methylpropyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 104985210
(2S)-2-tert-butyl-N-(2-hydroxyethyl)pentanamide
CID 155268171

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide?
The IUPAC name of (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide (CID 139500994) is (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide.
What is the SMILES notation for (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide?
The canonical SMILES for (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide is CCC[C@@H](C(=O)NCC(C)(C)OCC(C)[C@@H](CCC)C(=O)NCCN)C(C)C.
What is the InChIKey of (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide?
The InChIKey is MVOMFWVYEADQBU-OMKBGSMGSA-N. The full InChI is InChI=1S/C22H45N3O3/c1-8-10-18(16(3)4)20(26)25-15-22(6,7)28-14-17(5)19(11-9-2)21(27)24-13-12-23/h16-19H,8-15,23H2,1-7H3,(H,24,27)(H,25,26)/t17?,18-,19-/m1/s1.
What are the key properties of (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide?
(2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide has a molecular weight of 399.62 g/mol, XLogP of 3.10, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-aminoethyl)-2-[1-[2-methyl-1-[[(2R)-2-propan-2-ylpentanoyl]amino]propan-2-yl]oxypropan-2-yl]pentanamide is sourced from PubChem (CID 139500994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).