N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide

C21H25N3O4 — CID 4938631

IUPACN-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-3-5-19(25)22-17-10-6-15(7-11-17)20(26)23-24-21(27)16-8-12-18(13-9-16)28-14-4-2/h6-13H,3-5,14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyLUHOYQVNJAYACN-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.29
Rot. Bonds8

About N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide

N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide (PubChem CID 4938631) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
PubChem CID4938631
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-3-5-19(25)22-17-10-6-15(7-11-17)20(26)23-24-21(27)16-8-12-18(13-9-16)28-14-4-2/h6-13H,3-5,14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyLUHOYQVNJAYACN-UHFFFAOYSA-N
XLogP3.29
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(4-ethoxybenzoyl)amino]carbamoyl]phenyl]butanamide
CID 4948723
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-propoxybenzamide
CID 4939190
N-(4-butoxyphenyl)butanamide
CID 4939679
N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953184
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
N-[4-[[[4-(2-methoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 17353591
N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4949545
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
N-(4-decoxyphenyl)butanamide
CID 143303175
N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
CID 4956680

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide?
The IUPAC name of N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide (CID 4938631) is N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide?
The canonical SMILES for N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide is CCCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)CCC)cc2)cc1.
What is the InChIKey of N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide?
The InChIKey is LUHOYQVNJAYACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-3-5-19(25)22-17-10-6-15(7-11-17)20(26)23-24-21(27)16-8-12-18(13-9-16)28-14-4-2/h6-13H,3-5,14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide?
N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide has a molecular weight of 383.45 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-propoxybenzoyl)amino]carbamoyl]phenyl]butanamide is sourced from PubChem (CID 4938631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).