N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide

C11H21N3O2 — CID 34412331

IUPACN-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)NC(N)=O)C1CC1
InChIInChI=1S/C11H21N3O2/c1-8(2)5-6-14(9-3-4-9)7-10(15)13-11(12)16/h8-9H,3-7H2,1-2H3,(H3,12,13,15,16)
InChIKeyRJQMMJNPGNAQBV-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.69
Rot. Bonds6

About N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide

N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide (PubChem CID 34412331) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide
PubChem CID34412331
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)NC(N)=O)C1CC1
InChIInChI=1S/C11H21N3O2/c1-8(2)5-6-14(9-3-4-9)7-10(15)13-11(12)16/h8-9H,3-7H2,1-2H3,(H3,12,13,15,16)
InChIKeyRJQMMJNPGNAQBV-UHFFFAOYSA-N
XLogP0.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide?
The IUPAC name of N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide (CID 34412331) is N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide?
The canonical SMILES for N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide is CC(C)CCN(CC(=O)NC(N)=O)C1CC1.
What is the InChIKey of N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide?
The InChIKey is RJQMMJNPGNAQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)5-6-14(9-3-4-9)7-10(15)13-11(12)16/h8-9H,3-7H2,1-2H3,(H3,12,13,15,16).
What are the key properties of N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide?
N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide has a molecular weight of 227.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[cyclopropyl(3-methylbutyl)amino]acetamide is sourced from PubChem (CID 34412331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).