3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide

C12H23N3O2 — CID 79400913

IUPAC3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide
SMILESCC(C)(C)NCC(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)14-8-11(17)13-7-6-10(16)15-9-4-5-9/h9,14H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyDQMJUZKONRMAJZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.16
Rot. Bonds6

About 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide

3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide (PubChem CID 79400913) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide
PubChem CID79400913
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide
SMILESCC(C)(C)NCC(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-12(2,3)14-8-11(17)13-7-6-10(16)15-9-4-5-9/h9,14H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyDQMJUZKONRMAJZ-UHFFFAOYSA-N
XLogP0.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[[2-(ethylamino)acetyl]amino]propanamide
CID 79400683
3-(tert-butylamino)-N-(4-methylcyclohexyl)propanamide
CID 54928774
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 79401221
2-(tert-butylamino)-N-(4-propylcyclohexyl)acetamide
CID 78986680
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
CID 103515809
2-(tert-butylamino)-N-propylacetamide
CID 28586578
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 79401014
N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 79394037

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide (CID 79400913) is 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide is CC(C)(C)NCC(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide?
The InChIKey is DQMJUZKONRMAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,3)14-8-11(17)13-7-6-10(16)15-9-4-5-9/h9,14H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide?
3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide has a molecular weight of 241.33 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)acetyl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 79400913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).