N-tert-butyl-3-(quinazolin-4-ylamino)propanamide

C15H20N4O — CID 115609152

IUPACN-tert-butyl-3-(quinazolin-4-ylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNc1ncnc2ccccc12
InChIInChI=1S/C15H20N4O/c1-15(2,3)19-13(20)8-9-16-14-11-6-4-5-7-12(11)17-10-18-14/h4-7,10H,8-9H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyNQHUKNWLVZSDPE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.35
Rot. Bonds4

About N-tert-butyl-3-(quinazolin-4-ylamino)propanamide

N-tert-butyl-3-(quinazolin-4-ylamino)propanamide (PubChem CID 115609152) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-tert-butyl-3-(quinazolin-4-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(quinazolin-4-ylamino)propanamide
PubChem CID115609152
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-tert-butyl-3-(quinazolin-4-ylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNc1ncnc2ccccc12
InChIInChI=1S/C15H20N4O/c1-15(2,3)19-13(20)8-9-16-14-11-6-4-5-7-12(11)17-10-18-14/h4-7,10H,8-9H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyNQHUKNWLVZSDPE-UHFFFAOYSA-N
XLogP2.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211
N-(2-methoxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437187
1-pyrrolidin-1-yl-3-(quinazolin-4-ylamino)propan-1-one
CID 47121012
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(quinazolin-4-ylamino)propanamide
CID 110436119
N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
2-methyl-4-(quinazolin-4-ylamino)butanoic acid
CID 80539709
N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
CID 110436131
N-(1,1-dioxothiolan-3-yl)-3-(quinazolin-4-ylamino)propanamide
CID 110436099
N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide
CID 110436139
N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437164
N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436147

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(quinazolin-4-ylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(quinazolin-4-ylamino)propanamide (CID 115609152) is N-tert-butyl-3-(quinazolin-4-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(quinazolin-4-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(quinazolin-4-ylamino)propanamide is CC(C)(C)NC(=O)CCNc1ncnc2ccccc12.
What is the InChIKey of N-tert-butyl-3-(quinazolin-4-ylamino)propanamide?
The InChIKey is NQHUKNWLVZSDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,3)19-13(20)8-9-16-14-11-6-4-5-7-12(11)17-10-18-14/h4-7,10H,8-9H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of N-tert-butyl-3-(quinazolin-4-ylamino)propanamide?
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(quinazolin-4-ylamino)propanamide is sourced from PubChem (CID 115609152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).