N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C20H29N5O3 — CID 135809160

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCCCN(CC(=O)NC(=O)N[C@@H](C)CC)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H29N5O3/c1-4-6-11-25(13-18(26)24-20(28)21-14(3)5-2)12-17-22-16-10-8-7-9-15(16)19(27)23-17/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,23,27)(H2,21,24,26,28)/t14-/m0/s1
InChIKeyMKBOGQJHHDEKKG-AWEZNQCLSA-N
MW387.48 g/mol
LogP2.15
Rot. Bonds9

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135809160) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
PubChem CID135809160
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCCCN(CC(=O)NC(=O)N[C@@H](C)CC)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H29N5O3/c1-4-6-11-25(13-18(26)24-20(28)21-14(3)5-2)12-17-22-16-10-8-7-9-15(16)19(27)23-17/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,23,27)(H2,21,24,26,28)/t14-/m0/s1
InChIKeyMKBOGQJHHDEKKG-AWEZNQCLSA-N
XLogP2.15
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(ethylcarbamoyl)acetamide
CID 135809146
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 135809140
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 135809178
N-(butylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135750989
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-naphthalen-2-ylacetamide
CID 135892988
2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 135809400
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 135729541
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-chloro-4-fluorophenyl)acetamide
CID 135809212
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(3-cyanophenyl)acetamide
CID 135809216
N-(cyclopropylcarbamoyl)-2-[2-methoxyethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135809330
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-(2-methoxyethyl)-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809325
N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135809160) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is CCCCN(CC(=O)NC(=O)N[C@@H](C)CC)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The InChIKey is MKBOGQJHHDEKKG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-4-6-11-25(13-18(26)24-20(28)21-14(3)5-2)12-17-22-16-10-8-7-9-15(16)19(27)23-17/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,23,27)(H2,21,24,26,28)/t14-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 387.48 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135809160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).