N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide

C15H33N5O3 — CID 20693448

IUPACN-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide
SMILESCCC(NC(=O)C(C)NC)C(O)CN(CC)NC(=O)C(C)NC
InChIInChI=1S/C15H33N5O3/c1-7-12(18-14(22)10(3)16-5)13(21)9-20(8-2)19-15(23)11(4)17-6/h10-13,16-17,21H,7-9H2,1-6H3,(H,18,22)(H,19,23)
InChIKeyDWNSQVFPSQQHLY-UHFFFAOYSA-N
MW331.46 g/mol
LogP-1.19
Rot. Bonds11

About N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide

N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide (PubChem CID 20693448) has the molecular formula C15H33N5O3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide
PubChem CID20693448
Molecular FormulaC15H33N5O3
Molecular Weight331.46 g/mol
Exact Mass331.26
IUPAC NameN-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide
SMILESCCC(NC(=O)C(C)NC)C(O)CN(CC)NC(=O)C(C)NC
InChIInChI=1S/C15H33N5O3/c1-7-12(18-14(22)10(3)16-5)13(21)9-20(8-2)19-15(23)11(4)17-6/h10-13,16-17,21H,7-9H2,1-6H3,(H,18,22)(H,19,23)
InChIKeyDWNSQVFPSQQHLY-UHFFFAOYSA-N
XLogP-1.19
TPSA105.73 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 5-1.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-[3-ethyl-2-hydroxy-6-(methylamino)-5-oxoheptyl]-2-methylbutanehydrazide
CID 58492176
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylamino)propanamide
CID 62639532
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
(2S)-N-[(2S)-1-amino-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-(methylamino)propanamide
CID 155137335
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
2-(methylamino)-N-(4-methylpentan-2-yl)propanamide
CID 62638556
2-[2-(methylamino)propanoylamino]propanamide
CID 62637644
2,2-dichloro-N',N'-diethylacetohydrazide
CID 174663209
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
2-hydroxy-N-(4-hydroxy-14-methylhenicosan-3-yl)hexadecanamide
CID 143093241
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
(2R)-N-[(2S)-3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-3-methyl-2-[2-(methylamino)propanoylamino]-3-methylsulfonylbutanamide
CID 59890703

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide (CID 20693448) is N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide is CCC(NC(=O)C(C)NC)C(O)CN(CC)NC(=O)C(C)NC.
What is the InChIKey of N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide?
The InChIKey is DWNSQVFPSQQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N5O3/c1-7-12(18-14(22)10(3)16-5)13(21)9-20(8-2)19-15(23)11(4)17-6/h10-13,16-17,21H,7-9H2,1-6H3,(H,18,22)(H,19,23).
What are the key properties of N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide?
N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide has a molecular weight of 331.46 g/mol, XLogP of -1.19, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[ethyl-[2-(methylamino)propanoylamino]amino]-2-hydroxypentan-3-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 20693448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).