(6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide

C19H37N5O3 — CID 70990408

IUPAC(6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide
SMILESCC[C@H]1NC(=O)N[C@H]1[C@H](C)CCCCC(=O)NCCCC[C@H](NC)C(N)=O
InChIInChI=1S/C19H37N5O3/c1-4-14-17(24-19(27)23-14)13(2)9-5-6-11-16(25)22-12-8-7-10-15(21-3)18(20)26/h13-15,17,21H,4-12H2,1-3H3,(H2,20,26)(H,22,25)(H2,23,24,27)/t13-,14-,15+,17+/m1/s1
InChIKeyLLIWAHLIDUOORD-AIANPOQGSA-N
MW383.54 g/mol
LogP1.00
Rot. Bonds14

About (6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide

(6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide (PubChem CID 70990408) has the molecular formula C19H37N5O3 and a molecular weight of 383.54 g/mol. Its IUPAC name is (6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide.

Molecular Properties

Compound Name(6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide
PubChem CID70990408
Molecular FormulaC19H37N5O3
Molecular Weight383.54 g/mol
Exact Mass383.29
IUPAC Name(6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide
SMILESCC[C@H]1NC(=O)N[C@H]1[C@H](C)CCCCC(=O)NCCCC[C@H](NC)C(N)=O
InChIInChI=1S/C19H37N5O3/c1-4-14-17(24-19(27)23-14)13(2)9-5-6-11-16(25)22-12-8-7-10-15(21-3)18(20)26/h13-15,17,21H,4-12H2,1-3H3,(H2,20,26)(H,22,25)(H2,23,24,27)/t13-,14-,15+,17+/m1/s1
InChIKeyLLIWAHLIDUOORD-AIANPOQGSA-N
XLogP1.00
TPSA125.35 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide?
The IUPAC name of (6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide (CID 70990408) is (6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide.
What is the SMILES notation for (6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide?
The canonical SMILES for (6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide is CC[C@H]1NC(=O)N[C@H]1[C@H](C)CCCCC(=O)NCCCC[C@H](NC)C(N)=O.
What is the InChIKey of (6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide?
The InChIKey is LLIWAHLIDUOORD-AIANPOQGSA-N. The full InChI is InChI=1S/C19H37N5O3/c1-4-14-17(24-19(27)23-14)13(2)9-5-6-11-16(25)22-12-8-7-10-15(21-3)18(20)26/h13-15,17,21H,4-12H2,1-3H3,(H2,20,26)(H,22,25)(H2,23,24,27)/t13-,14-,15+,17+/m1/s1.
What are the key properties of (6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide?
(6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide has a molecular weight of 383.54 g/mol, XLogP of 1.00, 14 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]-6-[(4S,5R)-5-ethyl-2-oxoimidazolidin-4-yl]heptanamide is sourced from PubChem (CID 70990408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).