3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide

C17H35N3O2 — CID 126747616

IUPAC3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide
SMILESCCC(C)C(N)CC(=O)N(C)C(C)CNC(C=O)[C@H](C)CC
InChIInChI=1S/C17H35N3O2/c1-7-12(3)15(18)9-17(22)20(6)14(5)10-19-16(11-21)13(4)8-2/h11-16,19H,7-10,18H2,1-6H3/t12?,13-,14?,15?,16?/m1/s1
InChIKeyHRWRCXMEEZELJA-MJDLKMQVSA-N
MW313.49 g/mol
LogP1.80
Rot. Bonds11

About 3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide

3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide (PubChem CID 126747616) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide.

Molecular Properties

Compound Name3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide
PubChem CID126747616
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide
SMILESCCC(C)C(N)CC(=O)N(C)C(C)CNC(C=O)[C@H](C)CC
InChIInChI=1S/C17H35N3O2/c1-7-12(3)15(18)9-17(22)20(6)14(5)10-19-16(11-21)13(4)8-2/h11-16,19H,7-10,18H2,1-6H3/t12?,13-,14?,15?,16?/m1/s1
InChIKeyHRWRCXMEEZELJA-MJDLKMQVSA-N
XLogP1.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide?
The IUPAC name of 3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide (CID 126747616) is 3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide.
What is the SMILES notation for 3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide?
The canonical SMILES for 3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide is CCC(C)C(N)CC(=O)N(C)C(C)CNC(C=O)[C@H](C)CC.
What is the InChIKey of 3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide?
The InChIKey is HRWRCXMEEZELJA-MJDLKMQVSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-7-12(3)15(18)9-17(22)20(6)14(5)10-19-16(11-21)13(4)8-2/h11-16,19H,7-10,18H2,1-6H3/t12?,13-,14?,15?,16?/m1/s1.
What are the key properties of 3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide?
3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide has a molecular weight of 313.49 g/mol, XLogP of 1.80, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dimethyl-N-[1-[[(3R)-3-methyl-1-oxopentan-2-yl]amino]propan-2-yl]hexanamide is sourced from PubChem (CID 126747616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).