N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide

C10H21N3O2 — CID 103822806

IUPACN,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
SMILESCCCNC(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C10H21N3O2/c1-5-6-12-9(15)13-7-10(2,3)8(14)11-4/h5-7H2,1-4H3,(H,11,14)(H2,12,13,15)
InChIKeyPFIREXUTLWOCQZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.47
Rot. Bonds5

About N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide

N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide (PubChem CID 103822806) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
PubChem CID103822806
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
SMILESCCCNC(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C10H21N3O2/c1-5-6-12-9(15)13-7-10(2,3)8(14)11-4/h5-7H2,1-4H3,(H,11,14)(H2,12,13,15)
InChIKeyPFIREXUTLWOCQZ-UHFFFAOYSA-N
XLogP0.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate
CID 113278352
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103824126
3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 106279493
2,2-dimethyl-3-(pentylcarbamoylamino)propanoic acid
CID 115428270
ethyl 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropanoate
CID 114167338
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid
CID 106279378
3-(hexylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428854
2-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 114167201
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 106279362
1-(3,3-dimethyl-2-oxobutyl)-3-propylurea
CID 60733420
2-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-ethylbutanamide
CID 114167359

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide (CID 103822806) is N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide is CCCNC(=O)NCC(C)(C)C(=O)NC.
What is the InChIKey of N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide?
The InChIKey is PFIREXUTLWOCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-6-12-9(15)13-7-10(2,3)8(14)11-4/h5-7H2,1-4H3,(H,11,14)(H2,12,13,15).
What are the key properties of N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide?
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide has a molecular weight of 215.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide is sourced from PubChem (CID 103822806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).