N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide

C21H25N3O4 — CID 9237602

IUPACN-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-4-15-6-12-18(13-7-15)28-14(3)20(26)23-24-21(27)16-8-10-17(11-9-16)22-19(25)5-2/h6-14H,4-5H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t14-/m0/s1
InChIKeyXBWXVNVUVRCMCP-AWEZNQCLSA-N
MW383.45 g/mol
LogP2.83
Rot. Bonds7

About N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide

N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide (PubChem CID 9237602) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
PubChem CID9237602
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H25N3O4/c1-4-15-6-12-18(13-7-15)28-14(3)20(26)23-24-21(27)16-8-10-17(11-9-16)22-19(25)5-2/h6-14H,4-5H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t14-/m0/s1
InChIKeyXBWXVNVUVRCMCP-AWEZNQCLSA-N
XLogP2.83
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.83
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

(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4928641
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
N'-[2-(4-ethylphenoxy)propanoyl]-4-prop-2-enoxybenzohydrazide
CID 4953506
N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4953511
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
3-methyl-N-[4-[[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]carbamoyl]phenyl]butanamide
CID 42426777
3-bromo-N'-[2-(4-ethylphenoxy)propanoyl]-4-methylbenzohydrazide
CID 4953482
N'-[(2S)-2-(4-ethylphenoxy)propanoyl]-3-methylbenzohydrazide
CID 9237504
4-ethyl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 55792697

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide (CID 9237602) is N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(CC)cc2)cc1.
What is the InChIKey of N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide?
The InChIKey is XBWXVNVUVRCMCP-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-15-6-12-18(13-7-15)28-14(3)20(26)23-24-21(27)16-8-10-17(11-9-16)22-19(25)5-2/h6-14H,4-5H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)/t14-/m0/s1.
What are the key properties of N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide?
N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide has a molecular weight of 383.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(2S)-2-(4-ethylphenoxy)propanoyl]amino]carbamoyl]phenyl]propanamide is sourced from PubChem (CID 9237602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).