1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea

C10H21N3O2 — CID 141134273

IUPAC1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea
SMILESCCCCN(C)C(=O)N(C(N)=O)C(C)C
InChIInChI=1S/C10H21N3O2/c1-5-6-7-12(4)10(15)13(8(2)3)9(11)14/h8H,5-7H2,1-4H3,(H2,11,14)
InChIKeyYVCYASHJHYFEQN-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.63
Rot. Bonds4

About 1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea

1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea (PubChem CID 141134273) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea
PubChem CID141134273
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea
SMILESCCCCN(C)C(=O)N(C(N)=O)C(C)C
InChIInChI=1S/C10H21N3O2/c1-5-6-7-12(4)10(15)13(8(2)3)9(11)14/h8H,5-7H2,1-4H3,(H2,11,14)
InChIKeyYVCYASHJHYFEQN-UHFFFAOYSA-N
XLogP1.63
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-N,2-dimethylpropanamide
CID 21413636
2-[butyl(methyl)amino]propanamide
CID 60644986
2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
CID 61186225
(3Z)-3-amino-N-butyl-3-hydroxyimino-N-methylpropanamide
CID 43156068
N-butyl-N-methylcarbamate
CID 23071400
N-butyl-N-methylacetamide;ethane
CID 142088805
amino N-butyl-N-methylcarbamate
CID 143838747
2-[butyl(methyl)amino]-3-methylbutanamide
CID 82040476
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
N-carbamoyl-2-hydroxy-N-propan-2-ylacetamide
CID 158203403
1-butyl-1-methyl-2-(2-methylpropyl)guanidine
CID 62360457

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea (CID 141134273) is 1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea is CCCCN(C)C(=O)N(C(N)=O)C(C)C.
What is the InChIKey of 1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea?
The InChIKey is YVCYASHJHYFEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-6-7-12(4)10(15)13(8(2)3)9(11)14/h8H,5-7H2,1-4H3,(H2,11,14).
What are the key properties of 1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea?
1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea has a molecular weight of 215.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-carbamoyl-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 141134273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).