N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide

C12H21N3O2 — CID 40523696

IUPACN-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide
SMILESC=CCNC(=O)C/C(C)=N\NC(=O)CCCC
InChIInChI=1S/C12H21N3O2/c1-4-6-7-11(16)15-14-10(3)9-12(17)13-8-5-2/h5H,2,4,6-9H2,1,3H3,(H,13,17)(H,15,16)/b14-10-
InChIKeyPFLCLRSIWVOCGZ-UVTDQMKNSA-N
MW239.32 g/mol
LogP1.36
Rot. Bonds8

About N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide

N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide (PubChem CID 40523696) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide.

Molecular Properties

Compound NameN-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide
PubChem CID40523696
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide
SMILESC=CCNC(=O)C/C(C)=N\NC(=O)CCCC
InChIInChI=1S/C12H21N3O2/c1-4-6-7-11(16)15-14-10(3)9-12(17)13-8-5-2/h5H,2,4,6-9H2,1,3H3,(H,13,17)(H,15,16)/b14-10-
InChIKeyPFLCLRSIWVOCGZ-UVTDQMKNSA-N
XLogP1.36
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Butanamide, 3-(2-methylpropionylhydrazono)-N-allyl-
CID 9597675
N-allyl-3-(2-cyclopentylidenehydrazino)-3-oxopropanamide
CID 2844381
3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide
CID 536576
N'-(hexan-2-ylideneamino)-N-prop-2-enylpropanediamide
CID 4295302
N'-prop-2-enyl-N-(2-propyl-1-azapent-1-enyl)propane-1,3-diamide
CID 4641669
(3Z)-3-(2-methylpropanoylhydrazinylidene)-N-prop-2-enylbutanamide
CID 5363149
N'-[(Z)-hexan-2-ylideneamino]-N-prop-2-enylpropanediamide
CID 6060981
N-((1E)-2-methyl-1-azahex-1-enyl)-N'-prop-2-enylpropane-1,3-diamide
CID 9656565
(3E)-3-(2-pentanoylhydrazinylidene)-N-(prop-2-en-1-yl)butanamide
CID 17369167
6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397857
6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397890
N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43403013

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide?
The IUPAC name of N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide (CID 40523696) is N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide.
What is the SMILES notation for N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide?
The canonical SMILES for N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide is C=CCNC(=O)C/C(C)=N\NC(=O)CCCC.
What is the InChIKey of N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide?
The InChIKey is PFLCLRSIWVOCGZ-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-7-11(16)15-14-10(3)9-12(17)13-8-5-2/h5H,2,4,6-9H2,1,3H3,(H,13,17)(H,15,16)/b14-10-.
What are the key properties of N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide?
N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide has a molecular weight of 239.32 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-oxo-4-(prop-2-enylamino)butan-2-ylidene]amino]pentanamide is sourced from PubChem (CID 40523696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).