N-carbamoyl-2-(octan-4-ylamino)propanamide

C12H25N3O2 — CID 113249809

IUPACN-carbamoyl-2-(octan-4-ylamino)propanamide
SMILESCCCCC(CCC)NC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H25N3O2/c1-4-6-8-10(7-5-2)14-9(3)11(16)15-12(13)17/h9-10,14H,4-8H2,1-3H3,(H3,13,15,16,17)
InChIKeyFEBUQOAPBDYFFU-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.52
Rot. Bonds8

About N-carbamoyl-2-(octan-4-ylamino)propanamide

N-carbamoyl-2-(octan-4-ylamino)propanamide (PubChem CID 113249809) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-carbamoyl-2-(octan-4-ylamino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(octan-4-ylamino)propanamide
PubChem CID113249809
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-carbamoyl-2-(octan-4-ylamino)propanamide
SMILESCCCCC(CCC)NC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H25N3O2/c1-4-6-8-10(7-5-2)14-9(3)11(16)15-12(13)17/h9-10,14H,4-8H2,1-3H3,(H3,13,15,16,17)
InChIKeyFEBUQOAPBDYFFU-UHFFFAOYSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(octan-4-ylamino)propanamide
CID 103776431
N-cyclopropyl-2-(octan-4-ylamino)propanamide
CID 103728152
2-(undecan-6-ylamino)propanamide
CID 43777100
N-carbamoyl-2-(3-methylpentan-2-ylamino)propanamide
CID 61463420
N-carbamoyl-2-propan-2-ylhexanamide
CID 175202627
methyl (2S)-2-(heptan-3-ylamino)propanoate
CID 63944927
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
N-tert-butyl-2-(heptan-3-ylamino)propanamide
CID 115714332
(2R)-2-amino-N-carbamoylpentanamide
CID 107570048
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
N-carbamoyl-2-ethylheptanamide
CID 3032098

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(octan-4-ylamino)propanamide?
The IUPAC name of N-carbamoyl-2-(octan-4-ylamino)propanamide (CID 113249809) is N-carbamoyl-2-(octan-4-ylamino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(octan-4-ylamino)propanamide?
The canonical SMILES for N-carbamoyl-2-(octan-4-ylamino)propanamide is CCCCC(CCC)NC(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(octan-4-ylamino)propanamide?
The InChIKey is FEBUQOAPBDYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-6-8-10(7-5-2)14-9(3)11(16)15-12(13)17/h9-10,14H,4-8H2,1-3H3,(H3,13,15,16,17).
What are the key properties of N-carbamoyl-2-(octan-4-ylamino)propanamide?
N-carbamoyl-2-(octan-4-ylamino)propanamide has a molecular weight of 243.35 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(octan-4-ylamino)propanamide is sourced from PubChem (CID 113249809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).