2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide

C19H30N4O5 — CID 167750165

IUPAC2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide
SMILESCCCCC(NC(N)=O)C(=O)NCC(O)CNC(=O)C(CO)c1ccccc1
InChIInChI=1S/C19H30N4O5/c1-2-3-9-16(23-19(20)28)18(27)22-11-14(25)10-21-17(26)15(12-24)13-7-5-4-6-8-13/h4-8,14-16,24-25H,2-3,9-12H2,1H3,(H,21,26)(H,22,27)(H3,20,23,28)
InChIKeyVKLBZMFUSMJGTB-UHFFFAOYSA-N
MW394.47 g/mol
LogP-0.42
Rot. Bonds12

About 2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide

2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide (PubChem CID 167750165) has the molecular formula C19H30N4O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide
PubChem CID167750165
Molecular FormulaC19H30N4O5
Molecular Weight394.47 g/mol
Exact Mass394.22
IUPAC Name2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide
SMILESCCCCC(NC(N)=O)C(=O)NCC(O)CNC(=O)C(CO)c1ccccc1
InChIInChI=1S/C19H30N4O5/c1-2-3-9-16(23-19(20)28)18(27)22-11-14(25)10-21-17(26)15(12-24)13-7-5-4-6-8-13/h4-8,14-16,24-25H,2-3,9-12H2,1H3,(H,21,26)(H,22,27)(H3,20,23,28)
InChIKeyVKLBZMFUSMJGTB-UHFFFAOYSA-N
XLogP-0.42
TPSA153.78 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 5-0.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-ethylhexyl)-2-phenylpropanamide
CID 62878370
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 119525720
N-ethyl-3-hydroxy-2-phenylpropanamide
CID 13215112
(2S)-2-[(3-amino-2-phenylpropanoyl)amino]hexanoic acid
CID 107147010
3-[[(2S)-2-aminohexanoyl]amino]-2-phenylpropanoic acid
CID 107145420
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660
(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
N-methylmethanamine;octan-4-yl 3-hydroxy-2-phenylpropanoate
CID 155594508
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437
(2S)-2-amino-N-(2-ethylhexyl)-2-phenylacetamide
CID 104897632
2-(carbamoylamino)-N-[2-(ethylaminomethyl)phenyl]hexanamide
CID 119439131
2-(carbamoylamino)-N-(3-hydroxy-2-methylpropyl)-2-phenylacetamide
CID 65031979

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide (CID 167750165) is 2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide is CCCCC(NC(N)=O)C(=O)NCC(O)CNC(=O)C(CO)c1ccccc1.
What is the InChIKey of 2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide?
The InChIKey is VKLBZMFUSMJGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O5/c1-2-3-9-16(23-19(20)28)18(27)22-11-14(25)10-21-17(26)15(12-24)13-7-5-4-6-8-13/h4-8,14-16,24-25H,2-3,9-12H2,1H3,(H,21,26)(H,22,27)(H3,20,23,28).
What are the key properties of 2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide?
2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide has a molecular weight of 394.47 g/mol, XLogP of -0.42, 12 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-hydroxy-3-[(3-hydroxy-2-phenylpropanoyl)amino]propyl]hexanamide is sourced from PubChem (CID 167750165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).